SCHEMBL2908073

SCHEMBL2908073

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(CC(=O)O)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.47
MITF O75030 1/20 0.41
FFAR1 O14842 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP26A1 O43174 3/20 0.39
CYP26B1 Q9NR63 2/20 0.39
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGA4 P13612 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2912963 0.89 ALDH1A1 (0.42) CNR1CNR2MEN1KMT2AITGA4
SCHEMBL2910598 0.89 NR1H4 (0.56) NR1H4MITFFFAR1CNR1CNR2
SCHEMBL2913374 0.86 BCL2L1 (0.36) NR1H4ITGA4L3MBTL1
SCHEMBL2913166 0.84 XDH (0.38) MEN1KMT2AITGA4L3MBTL1
SCHEMBL2915315 0.83 KIF18A (0.35) NR1H4ITGA4L3MBTL1
SCHEMBL2906969 0.82 ALDH1A1 (0.36) MEN1TP53KMT2AITGA4L3MBTL1
SCHEMBL2910190 0.82 GPR27 (0.42) MEN1KMT2A
SCHEMBL2910683 0.82 ALDH1A1 (0.36) NR1H4ITGA4L3MBTL1
SCHEMBL2913154 0.82 BCL2L1 (0.35) NR1H4CYP26A1ITGA4L3MBTL1
SCHEMBL2907832 0.82 BCL2L1 (0.34) ITGA4L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed